Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 9/20 | 0.51 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | CCR8 | P51685 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1544336 | 1.00 | NPC1 (0.55) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL14420292 | 0.79 | CCR1 (0.37) | NPC1SMN1; SMN2TP53RAB9APAX8 | |
| SCHEMBL12383282 | 0.79 | NPC1 (0.55) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL3990726 | 0.79 | NPC1 (0.76) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL17725130 | 0.79 | HDAC6 (0.41) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL19549092 | 0.78 | ALDH1A1 (0.51) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL18453413 | 0.77 | GSK3B (0.39) | GSK3B | |
| SCHEMBL4701736 | 0.75 | RAB9A (0.49) | NPC1SMN1; SMN2TSHRRAB9AALDH1A1 | |
| SCHEMBL11482313 | 0.75 | KDM4E (0.45) | NPC1SMN1; SMN2TP53TSHRRAB9A | |
| SCHEMBL19612493 | 0.74 | CYP2A6 (0.42) | NPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110546140-B | Selective HDAC6 inhibitors | 意大发马克股份公司 | 2023-05-16 | — | — | CN | disclosed |